N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide

C14H16FNO3S — CID 3240367

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide
SMILESCCCC(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C14H16FNO3S/c1-2-3-14(17)16(12-6-4-11(15)5-7-12)13-8-9-20(18,19)10-13/h4-9,13H,2-3,10H2,1H3
InChIKeyMQFYSPRNEJHFLP-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.27
Rot. Bonds4

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide (PubChem CID 3240367) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide
PubChem CID3240367
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide
SMILESCCCC(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C14H16FNO3S/c1-2-3-14(17)16(12-6-4-11(15)5-7-12)13-8-9-20(18,19)10-13/h4-9,13H,2-3,10H2,1H3
InChIKeyMQFYSPRNEJHFLP-UHFFFAOYSA-N
XLogP2.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide (CID 3240367) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide is CCCC(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide?
The InChIKey is MQFYSPRNEJHFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S/c1-2-3-14(17)16(12-6-4-11(15)5-7-12)13-8-9-20(18,19)10-13/h4-9,13H,2-3,10H2,1H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide has a molecular weight of 297.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)butanamide is sourced from PubChem (CID 3240367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).